SCHEMBL28619358

SCHEMBL28619358

Clc1cc(Br)c2c(c1)[nH]c1cccc(Cl)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
EGFR P00533 2/20 0.38
KDR P35968 2/20 0.38
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CAMK2B Q13554 1/20 0.37
CAMK2G Q13555 1/20 0.37
CAMK2D Q13557 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25399310 0.79 CDK4 (0.48) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL31619545 0.78 ERCC5 (0.53) ERCC5FEN1GABRPGABRDGABRA1
SCHEMBL6009055 0.78 ERCC5 (0.53) ERCC5FEN1GABRPGABRDGABRA1
SCHEMBL20276479 0.74 ERCC5 (0.50) ERCC5FEN1GABRPGABRDGABRA1
SCHEMBL29344202 0.73 CYP2A6 (0.37) GAA
SCHEMBL25399086 0.71 RHEB (0.37) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL30439700 0.71 FEN1 (0.52) FEN1CCNB2CCNE2CDK1CDK4
SCHEMBL6008314 0.71 FEN1 (0.52) FEN1CCNB2CCNE2CDK1CDK4
SCHEMBL21145351 0.70 GABRP (0.48) ERCC5FEN1CCNB2CCNE2CDK1
SCHEMBL25565568 0.69 GABRP (0.46) ERCC5FEN1GABRPGABRDGABRA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113105462-B Organic compound, and electronic element and electronic device using same 陕西莱特光电材料股份有限公司 2022-05-31 CN disclosed
CN-113105462-A Organic compound, and electronic element and electronic device using same 陕西莱特光电材料股份有限公司 2021-07-13 CN disclosed